Consistent Energy-Based Atomistic/Continuum Coupling For Two-Body Potentials In Three Dimensions
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
In recent years, we have been witnessing a paradigm shift in computational materials science. In fact, traditional methods, mostly developed in the second half of the XXth century, are being complemented, extended, and sometimes even completely replaced by ...
Machine learned interatomic interaction potentials have enabled efficient and accurate molecular simulations of closed systems. However, external fields, which can greatly change the chemical structure and/or reactivity, have been seldom included in curren ...
This paper addresses the problem of consistent energy-based coupling of atomistic and continuum models of materials, limited to zero-temperature statics of simple crystals. It has been widely recognized that the most practical coupled methods exhibit large ...
Cavity quantum electrodynamics (QED) manipulates the coupling of light with matter, and allows several emitters to couple coherently with one light mode1. However, even in a many-body system, the light–matter coupling mechanism has so far been restricted t ...
The accurate representation of multidimensional potential energy surfaces is a necessary requirement for realistic computer simulations of molecular systems. The continued increase in computer power accompanied by advances in correlated electronic structur ...
Molecular dynamics simulations of collision cascades in pure tungsten are performed to assess the primary damage due to irradiation. For short-range interaction the universal potential is used [J.F. Ziegler, J.P. Biersack, U. Littmark, The Stopping and Ran ...
Interstitial clusters in bcc-Fe and fee-Cu and vacancy clusters in fcc-Cu have been studied by computer simulation using different types of interatomic potentials such as a short-ranged empirical pair potential of Johnson type, short-ranged many-body poten ...
The consequences of assuming the third-generation Yukawa couplings are all large and comparable are studied in the context of the minimal supersymmetric extension of the standard model. General aspects of the renormalization group (RG) evolution of the par ...
A simple extension of the minimal left-right symmetric supersymmetric grand unified theory model is constructed by adding two pairs of superfields. This naturally violates the partial Yukawa unification predicted by the minimal model. After including super ...
